Information card for entry 1516252

Structure parameters

• Formula: C156 H240 Gd Mn6 N3 O33
• Calculated formula: C156 H237 Gd Mn6 N3 O33
• SMILES: [Gd]12345678[O]9[Mn]%10%11%12%13[O]([Mn]%14%159([O]=C9[O]6[Mn]6%16%17([O]1[Mn]1([O]6C)([O]=C6[O]8[Mn]8%18([O]2[Mn]2([O]8C)([O]=C([O]4%14)c4cc(cc(c4O%15)C(C)(C)C)C(C)(C)C)([O]=C(O%18)c4c(O)c(cc(c4)C(C)(C)C)C(C)(C)C)[O]5C(=[O]%16)c4c(O2)c(cc(c4)C(C)(C)C)C(C)(C)C)([O]=C([O]3%11)c2c(O%13)c(cc(c2)C(C)(C)C)C(C)(C)C)Oc2c6cc(cc2C(C)(C)C)C(C)(C)C)([O]7C(=[O]%12)c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)[O]=C(O%17)c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)Oc1c9cc(cc1C(C)(C)C)C(C)(C)C)[O]=C(c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)O%10)C.[NH2+](CCC)CCC.[NH2+](CCC)CCC.[NH2+](CCC)CCC
• Title of publication: From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets.
• Authors of publication: Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5878 - 5880
• a: 19.481 ± 0.003 Å
• b: 26.582 ± 0.004 Å
• c: 38.691 ± 0.006 Å
• α: 90°
• β: 92.731 ± 0.003°
• γ: 90°
• Cell volume: 20013 ± 5 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No